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Home Aldehydes Benzo[b]thiophene-3-carbaldehyde

Benzo[b]thiophene-3-carbaldehyde

CAS No.:
5381-20-4
Catalog Number:
AG0032OE
Molecular Formula:
C9H6OS
Molecular Weight:
162.2083
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$14
- +
5g
98%
In Stock USA
United States
$35
- +
25g
98%
In Stock USA
United States
$144
- +
100g
98%
In Stock USA
United States
$557
- +
500g
98%
In Stock USA
United States
$2400
- +
Product Description
Catalog Number:
AG0032OE
Chemical Name:
Benzo[b]thiophene-3-carbaldehyde
CAS Number:
5381-20-4
Molecular Formula:
C9H6OS
Molecular Weight:
162.2083
MDL Number:
MFCD00052376
IUPAC Name:
1-benzothiophene-3-carbaldehyde
InChI:
InChI=1S/C9H6OS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-6H
InChI Key:
WDJLPQCBTBZTRH-UHFFFAOYSA-N
SMILES:
O=Cc1csc2c1cccc2
EC Number:
611-051-9
NSC Number:
18872
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.014g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.206g/mol
Monoisotopic Mass:
162.014g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
(E)-N-(1-Benzothio-phen-3-yl-methyl-idene)-2,6-dimethyl-aniline. Acta crystallographica. Section E, Structure reports online 20120301
(E)-3-[(2-Methyl-4-nitro-phen-yl)imino-meth-yl]-1-benzothio-phene. Acta crystallographica. Section E, Structure reports online 20120201
Identification of novel CYP2A6 inhibitors by virtual screening. Bioorganic & medicinal chemistry 20111201
Microwave assisted synthesis of novel functionalized hydantoin derivatives and their conversion to 5-(Z) arylidene-4H-imidazoles. Molecules (Basel, Switzerland) 20110629
Synthesis and evaluation of benzo[b]thiophene derivatives as inhibitors of alkaline phosphatases. Bioorganic & medicinal chemistry 20091015
Properties